Information card for entry 1520129

Structure parameters

• Formula: C78 H78 Gd2 N4 Ni2 O26
• Calculated formula: C78 H74 Gd2 N4 Ni2 O26
• SMILES: [Gd]123456([O](C)c7cccc8c7[O]1[Ni]17([O]2c2c([O]5C)cccc2C=[N]1[N]1[Ni]259([O]%10[Gd]%11%12%13([O](C)c%14cccc(c%10%14)C=[N]9[N]7=C8)([O](C)c9cccc(c9[O]2%13)C=1)([O]=C(O%11)c1ccccc1)(OC(=[O]%12)c1ccccc1)[O]=C(O5)c1ccccc1)[OH]C)([O]=C(O4)c1ccccc1)[OH]C)([O]=C(O6)c1ccccc1)OC(=[O]3)c1ccccc1.OC.O.O.OC
• Title of publication: Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.
• Authors of publication: Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11935 - 11942
• a: 24.011 ± 0.008 Å
• b: 16.677 ± 0.006 Å
• c: 22.589 ± 0.01 Å
• α: 90°
• β: 121.27 ± 0.02°
• γ: 90°
• Cell volume: 7731 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2001
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No